N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-4-fluoranyl-3-methyl-benzenesulfonamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-4-fluoranyl-3-methyl-benzenesulfonamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-4-fluoro-3-methyl-benzenesulfonamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(1-pyrrolidinyl)ethyl]-4-fluoro-3-methylbenzenesulfonamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ylethyl]-4-fluoro-3-methylbenzenesulfonamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidino-ethyl]-4-fluoro-3-methyl-benzenesulfonamide Formula: C21H28FN3O2S MolecularWeight: 405.529323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCCC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCCC3)F

InChI

InChI=1S/C21H28FN3O2S/c1-16-14-19(10-11-20(16)22)28(26,27)23-15-21(25-12-4-5-13-25)17-6-8-18(9-7-17)24(2)3/h6-11,14,21,23H,4-5,12-13,15H2,1-3H3